4-(aminomethyl)cyclohexene-1-carbaldehyde

C8H13NO — CID 166830970

IUPAC4-(aminomethyl)cyclohexene-1-carbaldehyde
SMILESNCC1CC=C(C=O)CC1
InChIInChI=1S/C8H13NO/c9-5-7-1-3-8(6-10)4-2-7/h3,6-7H,1-2,4-5,9H2
InChIKeyDOKODNDTXDQIFW-UHFFFAOYSA-N
MW139.20 g/mol
LogP0.87
Rot. Bonds2

About 4-(aminomethyl)cyclohexene-1-carbaldehyde

4-(aminomethyl)cyclohexene-1-carbaldehyde (PubChem CID 166830970) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 4-(aminomethyl)cyclohexene-1-carbaldehyde.

Molecular Properties

Compound Name4-(aminomethyl)cyclohexene-1-carbaldehyde
PubChem CID166830970
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name4-(aminomethyl)cyclohexene-1-carbaldehyde
SMILESNCC1CC=C(C=O)CC1
InChIInChI=1S/C8H13NO/c9-5-7-1-3-8(6-10)4-2-7/h3,6-7H,1-2,4-5,9H2
InChIKeyDOKODNDTXDQIFW-UHFFFAOYSA-N
XLogP0.87
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)cyclohexene-1-carbaldehyde?
The IUPAC name of 4-(aminomethyl)cyclohexene-1-carbaldehyde (CID 166830970) is 4-(aminomethyl)cyclohexene-1-carbaldehyde.
What is the SMILES notation for 4-(aminomethyl)cyclohexene-1-carbaldehyde?
The canonical SMILES for 4-(aminomethyl)cyclohexene-1-carbaldehyde is NCC1CC=C(C=O)CC1.
What is the InChIKey of 4-(aminomethyl)cyclohexene-1-carbaldehyde?
The InChIKey is DOKODNDTXDQIFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c9-5-7-1-3-8(6-10)4-2-7/h3,6-7H,1-2,4-5,9H2.
What are the key properties of 4-(aminomethyl)cyclohexene-1-carbaldehyde?
4-(aminomethyl)cyclohexene-1-carbaldehyde has a molecular weight of 139.20 g/mol, XLogP of 0.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)cyclohexene-1-carbaldehyde is sourced from PubChem (CID 166830970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).